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Chemical mask implementation #504

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SreejithNREL
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Chemistry mask implementation.

Updated Arkode, Cvode, RK64, and BDF chem integrators to mask chemical reactions inside a user-specified box region. Verified code change on PMF case for Clang serial, MPI, CUDA, and HIP.

@marchdf
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marchdf commented May 28, 2024

Let's ignore codespell for now. We need to fix that in a different PR.

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I am a bit worried though, shouldn't the states be updated with the adv/diffusion sources * dt before being sent back to the application codes (LM/C)?

amrex::Array4<amrex::Real> const& rhoE,
amrex::Array4<amrex::Real> const& frcEExt,
amrex::Array4<amrex::Real> const& FC_in,
amrex::Array4<int> const& mask,
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the mask should probably come in as amrex::Array4<const int> const&

@@ -135,7 +135,7 @@ ReactorArkode::react(
amrex::Array4<amrex::Real> const& rEner_in,
amrex::Array4<amrex::Real> const& rEner_src_in,
amrex::Array4<amrex::Real> const& FC_in,
amrex::Array4<int> const& /*mask*/,
amrex::Array4<int> const& mask,
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same here.

@@ -246,72 +246,77 @@ ReactorRK64::react(
rYsrc_ext[sp] = rYsrc_in(i, j, k, sp);
}

int nsteps = 0;
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did anything happen here beyond just a big indent because of the if condition?

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3 participants